| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:01 UTC |
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| Update Date | 2025-03-21 18:35:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107968 |
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| Frequency | 24.9 |
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| Structure | |
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| Chemical Formula | C16H15NO5 |
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| Molecular Mass | 301.095 |
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| SMILES | O=CNC(Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O |
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| InChI Key | NGQJHDRGJVDWKC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershydrocarbon derivativesmonocarboxylic acids and derivativesn-formyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-formyl-alpha amino acid or derivativesamphetamine or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesn-formyl-alpha-amino acidorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compounddiphenyletherorganooxygen compound |
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